𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Computing Expectation Values for Molecular Quantum Dynamics

✍ Scribed by Lasser, Caroline; Röblitz, Susanna


Book ID
118191964
Publisher
Society for Industrial and Applied Mathematics
Year
2010
Tongue
English
Weight
573 KB
Volume
32
Category
Article
ISSN
1064-8275

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Bounds to electronic expectation values
✍ M. G. Marmorino; Kayleigh Cassella 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 196 KB

## Abstract A generalization of a method to calculate lower bounds to expectation values of non‐negative observables is presented. We consider bounds to three electronic expectation values 〈__r__^2^〉, 〈__r__〉, and 〈__r__^−1^〉 in the helium atom as an example. For both 〈__r__^2^〉 and 〈__r__〉, we are

A third order iterative procedure for co
✍ Rainer Facius 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 145 KB

The calculation of exact confidence limits for the expectation value of a Poisson distribution when a single observation of K events is given by means of a second order iterative algorithm was recently presented. Here it is shown that the structure of the equations to be solved admits the use of a t